Vitas-M small molecule compound
methyl [(5Z)-5-{3-chloro-4-[(2-cyanobenzyl)oxy]benzylidene}-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STK100452
SMILES COC(=O)CN1/C(=C\c2ccc(c(c2)Cl)OCc2ccccc2C#N)/C(=O)N(C1=S)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H18ClN3O4S MW 455.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O4S/c1-25-21(28)18(26(22(25)31)12-20(27)29-2)10-14-7-8-19(17(23)9-14)30-13-16-6-4-3-5-15(16)11-24/h3-10H,12-13H2,1-2H3/b18-10-InChIKey
PWESUNJAWBIPFB-ZDLGFXPLSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Cl)N(C1=S)CC(=O)OC
COC(=O)CN1C(=Cc2ccc(c(c2)Cl)OCc2ccccc2C#N)C(=O)N(C1=S)C
InChI=1SC22H18ClN3O4Sc12521(28)18(26(22(25)31)1220(27)292)10147819(17(23)914)301316643515(16)1124h310H1213H212H3b1810
METHYL((5Z)5(3CHLORO4((2CYANOBENZYL)OXY)BENZYLIDENE)3METHYL4OXO2THIOXOIMIDAZOLIDIN1YL)ACETATE
METHYL2((5Z)5((3CHLORO4((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)3METHYL4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04087023
ZINC000009296180
ZINC09296180
ZINC9296180
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